Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.3027    0.2958    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174    0.1378   -0.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411   -0.0145    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140   -0.0094    1.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160   -0.1728   -0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5278   -0.3203   -0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491   -0.4733   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7619    1.2984   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773    0.1843    1.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.1700   -1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265   -0.3200    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3872   -0.4361   -1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers